1-(4-chlorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C20H16BrClN2O3 MolecularWeight: 447.70964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H16ClN2O3.BrH/c21-18-5-3-17(4-6-18)20(24)14-22-11-9-16(10-12-22)13-15-1-7-19(8-2-15)23(25)26;/h1-12H,13-14H2;1H/q+1;/p-1